Molecular Properties | |
SMILES: | C[C@H](CN1CCC=C(F)C1)N(C)C1CCOCC1 |
MW: | 256.2 |
Fraction sp3: | 0.86 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 15.71 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-8
JOH-ILL-98f23d0b-2
0.403
JOH-IMS-65d2d0b5-1
0.397
JOH-ILL-98f23d0b-4
0.338
AAR-POS-d2a4d1df-8
0.338
JOH-ILL-da934517-4
0.329
JOH-ILL-98f23d0b-3
0.305
MAK-UNK-8145c7a0-9
0.255
MAK-UNK-8145c7a0-10
0.248
MAK-UNK-8145c7a0-12
0.247
MAK-UNK-8145c7a0-8
0.242
MAK-UNK-ae34c249-3
0.233
MAK-UNK-8145c7a0-11
0.229
WAR-XCH-b6889685-53
0.224
MAK-UNK-8145c7a0-3
0.222
MAK-UNK-8145c7a0-1
0.222
MAK-UNK-8145c7a0-2
0.220
NAU-LAT-2fed8305-4
0.215
WAR-XCH-b6889685-64
0.207
MAK-UNK-ae34c249-7
0.206
NIM-UNI-310206f0-25
0.204
JUL-TUD-06b2044f-130
0.204
WAR-XCH-b6889685-63
0.200
TRY-UNI-9f475305-4
0.200
JON-UNI-2a110085-1
0.200
RAF-POL-950dada1-10
0.198
MAK-UNK-ae34c249-2
0.196
WAR-XCH-b6889685-1
0.196
WAR-XCH-b6889685-62
0.195
WAR-XCH-b72a1bbc-48
0.195
MAK-UNK-ae34c249-1
0.195
MAK-UNK-ae34c249-4
0.195
NIM-UNI-310206f0-9
0.194
WAR-XCH-b6889685-54
0.190
JOH-ILL-da934517-2
0.188
MAK-UNK-9955b1f3-4
0.187
MAK-UNK-9955b1f3-3
0.187
WAR-XCH-b6889685-57
0.186
MAR-TRE-6c5ef77a-83
0.184
PET-UNK-f92d7c0c-3
0.184
DAR-DIA-8b715a25-8
0.183
MAK-UNK-8145c7a0-4
0.181
RIT-HTT-61afd604-1
0.181
TJS-FNM-1e2be827-1
0.180
NAU-LAT-8502cac5-9
0.180
AGN-NEW-051944a9-3
0.179
WAR-XCH-b72a1bbc-49
0.179
MAR-TRE-dab8f6ea-37
0.177
JUL-TUD-06b2044f-147
0.175
DUN-NEW-f8ce3686-1
0.174
MAR-TRE-9c797165-58
0.174
SAD-SAT-cefd50cc-3
0.174
WAR-XCH-b6889685-2
0.172
WAR-XCH-b6889685-3
0.172
MAR-TRE-be9ff7d2-12
0.172
MAR-TRE-dab8f6ea-16
0.171
WAR-XCH-b6889685-59
0.170
NIM-UNI-310206f0-7
0.170
NIM-UNI-310206f0-29
0.170
JUL-TUD-06b2044f-68
0.170
BAR-COM-0f94fc3d-2
0.170
NIM-UNI-310206f0-34
0.170
DAR-DIA-8b715a25-7
0.170
WIL-NOV-649f4ed0-2
0.168
MAR-TRE-dab8f6ea-45
0.168
MAR-TRE-c317dd82-67
0.168
MAR-TRE-9c797165-43
0.168
TJS-FNM-87ae0f72-1
0.168
MAR-TRE-dab8f6ea-26
0.168
MAK-UNK-5d2caa6f-5
0.167
MAR-TRE-dab8f6ea-41
0.167
JOH-ILL-da934517-1
0.167
JOH-ILL-da934517-3
0.167
MAR-TRE-7f7bb9f0-80
0.167
MAR-TRE-67513f76-89
0.167
JUL-TUD-06b2044f-31
0.167
BRU-THA-92256091-1
0.165
DAV-AUT-fa25ac7f-2
0.165
GIA-UNK-20b63697-2
0.165
WAR-XCH-b6889685-55
0.165
MAK-UNK-748f8b7a-11
0.165
MAR-TRE-be9ff7d2-26
0.163
ANT-OPE-3d7cb11b-2
0.163
WAR-XCH-b6889685-5
0.163
RED-RED-10c9212c-18
0.163
MAK-UNK-be3f299e-6
0.163
MAR-TRE-c317dd82-10
0.162
MAK-UNK-8145c7a0-6
0.162
JOH-IMS-7e73aedd-10
0.162
JOH-IMS-0f19a540-4
0.162
NAU-LAT-e1818702-5
0.162
WAR-XCH-b6889685-56
0.161
MAR-LAB-ca4662a6-5
0.161
MAR-LAB-ca4662a6-9
0.160
JUL-TUD-06b2044f-152
0.160
MAR-TRE-dab8f6ea-33
0.160
AGN-NEW-9d245c51-2
0.160
JAG-UCB-c61058a9-10
0.160
MAR-TRE-e82e6c98-52
0.160
MAR-TRE-fffca54f-43
0.160
DAV-AUT-fa25ac7f-4
0.160